基本情報
- CAS
1333-13-7- 標準SMILES
Cc1cc(O)ccc1C(C)(C)C- InChIKey
JKINPMFPGULFQY-UHFFFAOYSA-N- 分子式
- C11H16O
- 平均分子量
- 164.24 g/mol
- 単同位体質量
- 164.12011513
概要
Mono-tert-butyl-m-cresol appears as a clear colorless liquid. Less dense than water and insoluble in water. Used as a disinfectant, to make rubber, as a lubricating oil additive, and for many other uses.
名称と識別子
- 優先名称
- 4-tert-Butyl-m-cresol
- IUPAC
- 4-tert-butyl-3-methylphenol
- 現地名
- 4-tert-ブチル-3-メチルフェノール
- 英語名
- 4-tert-butyl-m-cresol
- 分子式
- C11H16O
- 分子量
- 164.24
名称と別名
4-tert-Butyl-m-cresolPhenol, 4-(1,1-dimethylethyl)-3-methyl-4-(1,1-Dimethylethyl)-3-methylphenolMono-tert-butyl-m-cresolRefChem:5268202219-72-94-tert-butyl-3-methylphenolP-T-BUTYL-M-CRESOL4-(tert-butyl)-3-methylphenol4-(tert-Butyl)-m-cresol1333-13-7MFCD16997503
名称をさらに表示
4-tert-ブチル-3-メチルフェノールp-tert-Butyl-m-cresol
0462U14DUINSC 3856EINECS 218-732-6m-Cresol, tert-butyl-4-t-butyl-3-methylphenolUNII-VY4U4CC5E2VY4U4CC5E2UNII-0462U14DUI
データベース識別子
- CAS
1333-13-7、2219-72-9、88-60-8- PubChem CID
- 14912
- DTXSID
DTXSID4062272- UNII
- 0462U14DUI
- EC Number
- 215-579-7、218-732-6
- Nikkaji
- J299.176D
物性
構造計算による物性
- XLogP
- 3.5
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 1
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 146
実験および物理化学的性質
SpringerMaterials PropertiesDensity
Physical DescriptionMono-tert-butyl-m-cresol appears as a clear colorless liquid. Less dense than water and insoluble in water. Used as a disinfectant, to make rubber, as a lubricating oil additive, and for many other uses.
物理化学的性質
- 融点
- 112 °C · 112 °C
- 沸点
- 153 °C · 153 °C(Press: 29 Torr)
- 比重(密度)
- 0.9772 g/cm3 · 0.9772 g/cm3
- 酸解離定数(Pka)
- 10.29 · 10.29±0.18(Predicted)
- EPAの化学物質情報
- 4 · 4-(tert-Butyl)-m-cresol (2219-72-9)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
DOT LabelFlammable Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Reactive GroupPhenols and Cresols
Reactivity AlertsHighly Flammable
Reactivity Profile
Phenols, such as MONO-TERT-BUTYL-M-CRESOL, do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has pKa = 9.88). These materials are incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. Such heating may initiate polymerization of the organic compound. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid.
Air and Water ReactionsFlammable. Insoluble in water.
Hazard Classes and Categories
化学と産業
用途と製造
General Manufacturing InformationPhenol, 4-(1,1-dimethylethyl)-3-methyl-: ACTIVE
上流・下流製品情報
下流製品
サプライヤー5 社
韶远科技(上海)有限公司4000665055 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
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